N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide

C15H17NO3 — CID 110781919

IUPACN-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccco2)cc1C
InChIInChI=1S/C15H17NO3/c1-3-18-13-7-6-12(9-11(13)2)10-16-15(17)14-5-4-8-19-14/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyPFKAXHWEGVQKJT-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.92
Rot. Bonds5

About N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide

N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 110781919) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide
PubChem CID110781919
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccco2)cc1C
InChIInChI=1S/C15H17NO3/c1-3-18-13-7-6-12(9-11(13)2)10-16-15(17)14-5-4-8-19-14/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyPFKAXHWEGVQKJT-UHFFFAOYSA-N
XLogP2.92
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxy-3-methylphenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 56804875
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
CID 110781923
N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 110780466
N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186556
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
N-[(4-ethoxy-3-methylphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165723
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide
CID 115154979
4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
CID 115156704
N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
CID 115158856
N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86938042

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide (CID 110781919) is N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide is CCOc1ccc(CNC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is PFKAXHWEGVQKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-18-13-7-6-12(9-11(13)2)10-16-15(17)14-5-4-8-19-14/h4-9H,3,10H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide?
N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 259.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110781919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).